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Methyl 2-azido-2,3,4,6-tetradeoxy-6-{2,4-dinitrophenyl-[(1R)-phenylethyl]amino}-.beta.-D-threo-hexopyranoside
SpectraBase Compound ID 3fjAnckIMwt
InChI InChI=1S/C21H24N6O6/c1-14(15-6-4-3-5-7-15)25(13-17-9-10-18(23-24-22)21(32-2)33-17)19-11-8-16(26(28)29)12-20(19)27(30)31/h3-8,11-12,14,17-18,21H,9-10,13H2,1-2H3/t14-,17+,18+,21-/m1/s1
InChIKey PMUCVVWCPFSPFV-BBTHKVSRSA-N
Mol Weight 456.46 g/mol
Molecular Formula C21H24N6O6
Exact Mass 456.175733 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4O1shq2n8e9
Name Methyl 2-azido-2,3,4,6-tetradeoxy-6-{2,4-dinitrophenyl-[(1R)-phenylethyl]amino}-.beta.-D-threo-hexopyranoside
Alternate Name(s) ((2S,5S,6R)-5-Azido-6-methoxy-tetrahydro-pyran-2-ylmethyl)-(2,4-dinitro-phenyl)-((R)-1-phenyl-ethyl)-amine methyl 2-azido-2,3,4,6-tetradeoxy-6-{2,4-dinitro[(1R)-1-phenylethyl]anilino}-.beta.-D-threo-hexopyranoside
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N6O6
InChI InChI=1S/C21H24N6O6/c1-14(15-6-4-3-5-7-15)25(13-17-9-10-18(23-24-22)21(32-2)33-17)19-11-8-16(26(28)29)12-20(19)27(30)31/h3-8,11-12,14,17-18,21H,9-10,13H2,1-2H3/t14-,17+,18+,21-/m1/s1
InChIKey PMUCVVWCPFSPFV-BBTHKVSRSA-N
Molecular Weight 456.459 g/mol
SMILES c1(N(=O)=O)c(N([C@@](c2ccccc2)(C)[H])C[C@]2(O[C@@](OC)([C@](CC2)(N=[N+]=[N-])[H])[H])[H])ccc(N(=O)=O)c1
SPLASH splash10-0a4l-0000900000-0d1ee010b05c0ab9895d
Source of Spectrum KC-0-2699-24
Wiley ID 782277